22F
Summary
Name: | (4-fluorophenyl)(pyridin-4-yl)methanone |
Synonyms: | 4-(4-fluorobenzoyl)pyridine |
Formula: | C12 H8 F N O |
Formal charge: | 0 |
Formula weight: | 201.196 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (4-fluorophenyl)(pyridin-4-yl)methanone |
OpenEye OEToolkits | 1.5.0 | (4-fluorophenyl)-pyridin-4-yl-methanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccc(F)cc1)c2ccncc2 |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc(cc1)C(=O)c2ccncc2 |
SMILES | CACTVS | 3.341 | Fc1ccc(cc1)C(=O)c2ccncc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)c2ccncc2)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)c2ccncc2)F |
InChI | InChI | 1.03 | InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H |
InChIKey | InChI | 1.03 | WTRWBYGUMQEFFI-UHFFFAOYSA-N |